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CAS 2006277-63-8

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Ethyl 3-[(4-bromophenyl)hydroxymethyl]-4-isoxazolecarboxylate

Description:
Ethyl 3-[(4-bromophenyl)hydroxymethyl]-4-isoxazolecarboxylate is a chemical compound characterized by its unique isoxazole structure, which is a five-membered heterocyclic ring containing both nitrogen and oxygen. This compound features an ethyl ester functional group, contributing to its solubility in organic solvents. The presence of the 4-bromophenyl group indicates that it has a bromine atom attached to a phenyl ring, which can influence its reactivity and biological activity. The hydroxymethyl substituent enhances its potential for hydrogen bonding, which may affect its interactions in biological systems. This compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its specific characteristics, such as melting point, boiling point, and spectral data, would typically be determined through experimental methods. Overall, the combination of these functional groups suggests that it could be involved in various chemical reactions and applications, particularly in the development of pharmaceuticals or agrochemicals.
Formula:C13H12BrNO4
InChI:InChI=1S/C13H12BrNO4/c1-2-18-13(17)10-7-19-15-11(10)12(16)8-3-5-9(14)6-4-8/h3-7,12,16H,2H2,1H3
InChI key:InChIKey=FHOLMGNZJIMRFK-UHFFFAOYSA-N
SMILES:C(O)(C=1C(C(OCC)=O)=CON1)C2=CC=C(Br)C=C2
Synonyms:
  • Ethyl 3-[(4-bromophenyl)hydroxymethyl]-4-isoxazolecarboxylate
  • 4-Isoxazolecarboxylic acid, 3-[(4-bromophenyl)hydroxymethyl]-, ethyl ester
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